Information card for entry 7061592

Structure parameters

• Formula: C28 H32 I4 N6 O2 Pd2
• Calculated formula: C28 H32 I4 N6 O2 Pd2
• SMILES: I[Pd](I)([n]1ccc(OC)cc1)=C1N(c2ccc(N3C(=[Pd](I)(I)[n]4ccc(OC)cc4)N(C)C=C3)c(c2C)C)C=CN1C
• Title of publication: Bimetallic PdII complexes with NHC/Py/PCy3 donor set ligands: applications in α-arylation, Suzuki–Miyaura and Sonogashira coupling reactions
• Authors of publication: Majumder, Adhir; Naskar, Rajat; Phukan, Shankab J.; Maity, Ramananda
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 27
• Pages of publication: 13075 - 13081
• a: 9.3535 ± 0.0008 Å
• b: 23.046 ± 0.002 Å
• c: 17.3965 ± 0.0015 Å
• α: 90°
• β: 102.035 ± 0.004°
• γ: 90°
• Cell volume: 3667.6 ± 0.6 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No